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Compound Detail

CHEMBL5809258

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COC[C@@H](C)Oc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)[C@H]4CCCO4)c(C=O)nc32)ncc1C#N

Basic Information

ChEMBL ID CHEMBL5809258
Phase Preclinical
Structure Type MOL
InChI Key ATFNGRMKPANMIR-VGOFRKELSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

536.6
MW (Da)
2.70
ALogP
9
HBA
1
HBD
147.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N6O6
MW 536.59
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -1.13

Activity Summary

IC50 1 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.6 8.6 2.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine